AG000JEP

1227605-02-8 | 3-Bromo-2-(Trifluoromethyl)Benzoic Acid

AG000JEP

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CAS Number	1227605-02-8
Catalog Number	AG000JEP(AGN-PC-07QVAS)
Chemical Name	3-Bromo-2-(Trifluoromethyl)Benzoic Acid
IUPAC Name	3-bromo-2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4BrF3O2/c9-5-3-1-2-4(7(13)14)6(5)8(10,11)12/h1-3H,(H,13,14)
InChI Key	PZGTYJFUVHSNLB-UHFFFAOYSA-N
MDL Number	MFCD16606443
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	O=C(O)C1=CC=CC(Br)=C1C(F)(F)F
Synonyms	3-Bromo-2-(trifluoromethyl)benzoic acid, 1227605-02-8, SCHEMBL19950528, DTXSID10735316, MFCD16606443, ZINC85652796, FCH1343608, PC53198, AS-46441, AX8264257, Benzoic acid, 3-bromo-2-(trifluoromethyl)-, FT-0725245,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.017g/mol
Monoisotopic Mass	267.935g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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